diethyl 2-[[4-[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(5,7-dinitro-3-phenyl-2-quinoxalinyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(5,7-dinitro-3-phenylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(5,7-dinitro-3-phenyl-quinoxalin-2-yl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C30H28N6O9 MolecularWeight: 616.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H28N6O9/c1-3-44-25(37)15-14-22(30(39)45-4-2)33-29(38)19-10-12-20(13-11-19)31-28-26(18-8-6-5-7-9-18)34-27-23(32-28)16-21(35(40)41)17-24(27)36(42)43/h5-13,16-17,22H,3-4,14-15H2,1-2H3,(H,31,32)(H,33,38)